From 2ce9c58e7947e062309150313e5c85233c7472c2 Mon Sep 17 00:00:00 2001
From: "pre-commit-ci[bot]"
 <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Date: Tue, 6 Feb 2024 09:32:11 +0800
Subject: [PATCH] [pre-commit.ci] pre-commit autoupdate (#3236)
MIME-Version: 1.0
Content-Type: text/plain; charset=UTF-8
Content-Transfer-Encoding: 8bit

<!--pre-commit.ci start-->
updates:
- [github.com/astral-sh/ruff-pre-commit: v0.1.14 →
v0.2.0](https://github.com/astral-sh/ruff-pre-commit/compare/v0.1.14...v0.2.0)
<!--pre-commit.ci end-->

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
(cherry picked from commit 37cdccf06077c74269f87e1158c2fa5bda07e677)
---
 .pre-commit-config.yaml        | 2 +-
 deepmd/descriptor/loc_frame.py | 5 ++++-
 deepmd/descriptor/se_a.py      | 5 ++++-
 deepmd/descriptor/se_r.py      | 5 ++++-
 deepmd/descriptor/se_t.py      | 5 ++++-
 pyproject.toml                 | 4 ++--
 6 files changed, 19 insertions(+), 7 deletions(-)

diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
index 0fd2d1b40f..85486e3901 100644
--- a/.pre-commit-config.yaml
+++ b/.pre-commit-config.yaml
@@ -30,7 +30,7 @@ repos:
       exclude: ^source/3rdparty
 -   repo: https://github.com/astral-sh/ruff-pre-commit
     # Ruff version.
-    rev: v0.1.14
+    rev: v0.2.0
     hooks:
     - id: ruff
       args: ["--fix"]
diff --git a/deepmd/descriptor/loc_frame.py b/deepmd/descriptor/loc_frame.py
index 0765be55f8..4c9b3033ae 100644
--- a/deepmd/descriptor/loc_frame.py
+++ b/deepmd/descriptor/loc_frame.py
@@ -343,7 +343,10 @@ def prod_force_virial(
         tf.summary.histogram("net_derivative", net_deriv)
         net_deriv_reshape = tf.reshape(
             net_deriv,
-            [np.cast["int64"](-1), natoms[0] * np.cast["int64"](self.ndescrpt)],
+            [
+                np.asarray(-1, dtype=np.int64),
+                natoms[0] * np.asarray(self.ndescrpt, dtype=np.int64),
+            ],
         )
         force = op_module.prod_force(
             net_deriv_reshape,
diff --git a/deepmd/descriptor/se_a.py b/deepmd/descriptor/se_a.py
index 721bb0d534..c792db12bb 100644
--- a/deepmd/descriptor/se_a.py
+++ b/deepmd/descriptor/se_a.py
@@ -708,7 +708,10 @@ def prod_force_virial(
         tf.summary.histogram("net_derivative", net_deriv)
         net_deriv_reshape = tf.reshape(
             net_deriv,
-            [np.cast["int64"](-1), natoms[0] * np.cast["int64"](self.ndescrpt)],
+            [
+                np.asarray(-1, dtype=np.int64),
+                natoms[0] * np.asarray(self.ndescrpt, dtype=np.int64),
+            ],
         )
         force = op_module.prod_force_se_a(
             net_deriv_reshape,
diff --git a/deepmd/descriptor/se_r.py b/deepmd/descriptor/se_r.py
index ae926c339f..6b9cda9363 100644
--- a/deepmd/descriptor/se_r.py
+++ b/deepmd/descriptor/se_r.py
@@ -500,7 +500,10 @@ def prod_force_virial(
         tf.summary.histogram("net_derivative", net_deriv)
         net_deriv_reshape = tf.reshape(
             net_deriv,
-            [np.cast["int64"](-1), natoms[0] * np.cast["int64"](self.ndescrpt)],
+            [
+                np.asarray(-1, dtype=np.int64),
+                natoms[0] * np.asarray(self.ndescrpt, dtype=np.int64),
+            ],
         )
         force = op_module.prod_force_se_r(
             net_deriv_reshape, self.descrpt_deriv, self.nlist, natoms
diff --git a/deepmd/descriptor/se_t.py b/deepmd/descriptor/se_t.py
index d0c9fcbc2e..8957e88538 100644
--- a/deepmd/descriptor/se_t.py
+++ b/deepmd/descriptor/se_t.py
@@ -513,7 +513,10 @@ def prod_force_virial(
         [net_deriv] = tf.gradients(atom_ener, self.descrpt_reshape)
         net_deriv_reshape = tf.reshape(
             net_deriv,
-            [np.cast["int64"](-1), natoms[0] * np.cast["int64"](self.ndescrpt)],
+            [
+                np.asarray(-1, dtype=np.int64),
+                natoms[0] * np.asarray(self.ndescrpt, dtype=np.int64),
+            ],
         )
         force = op_module.prod_force_se_a(
             net_deriv_reshape,
diff --git a/pyproject.toml b/pyproject.toml
index 9b9d24dbef..af41e6ed68 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -222,7 +222,7 @@ ignore = "D413, D416, D203, D107, D213"
 profile = "black"
 force_grid_wrap = 1
 
-[tool.ruff]
+[tool.ruff.lint]
 select = [
     "E", # errors
     "F", # pyflakes
@@ -250,7 +250,7 @@ ignore = [
 ]
 ignore-init-module-imports = true
 
-[tool.ruff.pydocstyle]
+[tool.ruff.lint.pydocstyle]
 convention = "numpy"
 
 [tool.pytest.ini_options]